Geometry & MOs

Info

ID:	322017
PubChem CID:	126668282
Reduced:	O29C38H68 (1)
Stoich.:	A29B38C68 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-1325.37
Dipole, Da:	3.3
IP(EA), eV:	-10.02(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methylpropoxy)phenyl]ethane-1,1-diol

Drug info:

Smile

C[C@@H]1[C@@H](OC([C@@H](C1O[C@H]2[C@H](C([C@H](C(O2)CO)O)O)O[C@H]3[C@H](C([C@@H](C(O3)C)O)O)O)O)CO)O[C@H]4[C@H](C(O[C@@H](C4O)O[C@H]5C(O[C@H]([C@H](C5O)O)O[C@@H](C)C(CO)O[C@H]([C@H](CO)O)O)CO)CO)O

DOS

IR

Vibrations